ethyl 4-[[2-(cyanomethyl)-3-oxidanylidene-butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-(cyanomethyl)-3-oxidanylidene-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-(cyanomethyl)-3-oxo-butanoyl]amino]benzoate CAS Name: 4-[[2-(cyanomethyl)-1,3-dioxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(cyanomethyl)-3-oxobutanoyl]amino]benzoate Traditional Name: 4-[[2-(cyanomethyl)-3-keto-butanoyl]amino]benzoic acid ethyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC#N)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC#N)C(=O)C

InChI

InChI=1S/C15H16N2O4/c1-3-21-15(20)11-4-6-12(7-5-11)17-14(19)13(8-9-16)10(2)18/h4-7,13H,3,8H2,1-2H3,(H,17,19)